CONFLIST HYD        HYDBK HYD01 HYD+1#HYD-1 #HYD+1

NATOM    HYDBK      0
NATOM    HYD01      3
NATOM    HYDDM      0
NATOM    HYD-1      2
NATOM    HYD+1      4

IATOM    HYD01  O   0
IATOM    HYD01 1H   1
IATOM    HYD01 2H   2
IATOM    HYD-1  O   0
IATOM    HYD-1  H   1
IATOM    HYD+1  O   0
IATOM    HYD+1 1H   1
IATOM    HYD+1 2H   2
IATOM    HYD+1 3H   3

ATOMNAME HYD01    0  O
ATOMNAME HYD01    1 1H
ATOMNAME HYD01    2 2H
ATOMNAME HYD-1    0  O
ATOMNAME HYD-1    1  H
ATOMNAME HYD+1    0  O
ATOMNAME HYD+1    1 1H
ATOMNAME HYD+1    2 2H
ATOMNAME HYD+1    3 3H

RXN      HYD01       -1.8
RXN      HYD+1       -14.8
RXN      HYD-1       -25.5
RXN      HYDDM        0.0
PKA      HYD01        0.0
PKA      HYD+1        -1.4
PKA      HYD-1        15.7
PKA      HYDDM        0.0
PROTON   HYD01        0
PROTON   HYD+1        1
PROTON   HYD-1        -1
PROTON   HYDDM        0
ELECTRON HYD01        0
ELECTRON HYDDM        0


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#ONNECT   conf atom  orbital  ires conn ires conn ires conn ires conn
#ONNECT |-----|----|---------|----|----|----|----|----|----|----|----|----|----|----|----|
CONNECT  HYD01  O   sp3       0    1H   0    2H
CONNECT  HYD01 1H   s         0     O
CONNECT  HYD01 2H   s         0     O

CONNECT  HYD-1  O   sp3       0     H
CONNECT  HYD-1  H   s         0     O

CONNECT  HYD+1  O   sp3       0    1H   0    2H   0    3H
CONNECT  HYD+1 1H   s         0     O
CONNECT  HYD+1 2H   s         0     O
CONNECT  HYD+1 3H   s         0     O

DONOR    HYD01 1H    O
DONOR    HYD01 2H    O
ACCEPTOR HYD01  O   1H

CHARGE   HYD01  O    -0.80
CHARGE   HYD01 1H     0.40
CHARGE   HYD01 2H     0.40

CHARGE   HYD-1  O    -1.20
CHARGE   HYD-1  H     0.20

CHARGE   HYD+1  O    -0.50
CHARGE   HYD+1 1H     0.50
CHARGE   HYD+1 2H     0.50
CHARGE   HYD+1 3H     0.50

RADIUS   HYD    O     1.60
RADIUS   HYD    H     1.00
RADIUS   HYD   1H     1.00
RADIUS   HYD   2H     1.00
RADIUS   HYD   3H     1.00
